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Generalized cross-validation (GCV) is a widely-used method for estimating the squared out-of-sample prediction risk that employs a scalar degrees of freedom adjustment (in a multiplicative sense) to the squared training error. In this paper, we examine the consistency of GCV for estimating the prediction risk of arbitrary ensembles of penalized least squares estimators. We show that GCV is inconsistent for any finite ensemble of size greater than one. Towards repairing this shortcoming, we identify a correction that involves an additional scalar correction (in an additive sense) based on degrees of freedom adjusted training errors from each ensemble component. The proposed estimator (termed CGCV) maintains the computational advantages of GCV and requires neither sample splitting, model refitting, or out-of-bag risk estimation. The estimator stems from a finer inspection of ensemble risk decomposition and two intermediate risk estimators for the components in this decomposition. We provide a non-asymptotic analysis of the CGCV and the two intermediate risk estimators for ensembles of convex penalized estimators under Gaussian features and a linear response model. In the special case of ridge regression, we extend the analysis to general feature and response distributions using random matrix theory, which establishes model-free uniform consistency of CGCV.

Nowadays, numerical models are widely used in most of engineering fields to simulate the behaviour of complex systems, such as for example power plants or wind turbine in the energy sector. Those models are nevertheless affected by uncertainty of different nature (numerical, epistemic) which can affect the reliability of their predictions. We develop here a new method for quantifying conditional parameter uncertainty within a chain of two numerical models in the context of multiphysics simulation. More precisely, we aim to calibrate the parameters $\theta$ of the second model of the chain conditionally on the value of parameters $\lambda$ of the first model, while assuming the probability distribution of $\lambda$ is known. This conditional calibration is carried out from the available experimental data of the second model. In doing so, we aim to quantify as well as possible the impact of the uncertainty of $\lambda$ on the uncertainty of $\theta$. To perform this conditional calibration, we set out a nonparametric Bayesian formalism to estimate the functional dependence between $\theta$ and $\lambda$, denoted by $\theta(\lambda)$. First, each component of $\theta(\lambda)$ is assumed to be the realization of a Gaussian process prior. Then, if the second model is written as a linear function of $\theta(\lambda)$, the Bayesian machinery allows us to compute analytically the posterior predictive distribution of $\theta(\lambda)$ for any set of realizations $\lambda$. The effectiveness of the proposed method is illustrated on several analytical examples.

Semitopologies model consensus in distributed system by equating the notion of a quorum -- a set of participants sufficient to make local progress -- with that of an open set. This yields a topology-like theory of consensus, but semitopologies generalise topologies, since the intersection of two quorums need not necessarily be a quorum. The semitopological model of consensus is naturally heterogeneous and local, just like topologies can be heterogenous and local, and for the same reasons: points may have different quorums and there is no restriction that open sets / quorums be uniformly generated (e.g. open sets can be something other than two-thirds majorities of the points in the space). Semiframes are an algebraic abstraction of semitopologies. They are to semitopologies as frames are to topologies. We give a notion of semifilter, which plays a role analogous to filters, and show how to build a semiframe out of the open sets of a semitopology, and a semitopology out of the semifilters of a semiframe. We define suitable notions of category and morphism and prove a categorical duality between (sober) semiframes and (spatial) semitopologies, and investigate well-behavedness properties on semitopologies and semiframes across the duality. Surprisingly, the structure of semiframes is not what one might initially expect just from looking at semitopologies, and the canonical structure required for the duality result -- a compatibility relation *, generalising sets intersection -- is also canonical for expressing well-behavedness properties. Overall, we deliver a new categorical, algebraic, abstract framework within which to study consensus on distributed systems, and which is also simply interesting to consider as a mathematical theory in its own right.

Temporal analysis of products (TAP) reactors enable experiments that probe numerous kinetic processes within a single set of experimental data through variations in pulse intensity, delay, or temperature. Selecting additional TAP experiments often involves arbitrary selection of reaction conditions or the use of chemical intuition. To make experiment selection in TAP more robust, we explore the efficacy of model-based design of experiments (MBDoE) for precision in TAP reactor kinetic modeling. We successfully applied this approach to a case study of synthetic oxidative propane dehydrogenation (OPDH) that involves pulses of propane and oxygen. We found that experiments identified as optimal through the MBDoE for precision generally reduce parameter uncertainties to a higher degree than alternative experiments. The performance of MBDoE for model divergence was also explored for OPDH, with the relevant active sites (catalyst structure) being unknown. An experiment that maximized the divergence between the three proposed mechanisms was identified and led to clear mechanism discrimination. However, re-optimization of kinetic parameters eliminated the ability to discriminate. The findings yield insight into the prospects and limitations of MBDoE for TAP and transient kinetic experiments.

It has long been believed that the brain is highly modular both in terms of structure and function, although recent evidence has led some to question the extent of both types of modularity. We used artificial neural networks to test the hypothesis that structural modularity is sufficient to guarantee functional specialization, and find that in general, this doesn't necessarily hold except at extreme levels. We then systematically tested which features of the environment and network do lead to the emergence of specialization. We used a simple toy environment, task and network, allowing us precise control, and show that in this setup, several distinct measures of specialization give qualitatively similar results. We further find that (1) specialization can only emerge in environments where features of that environment are meaningfully separable, (2) specialization preferentially emerges when the network is strongly resource-constrained, and (3) these findings are qualitatively similar across different network architectures, but the quantitative relationships depends on the architecture type. Finally, we show that functional specialization varies dynamically across time, and demonstrate that these dynamics depend on both the timing and bandwidth of information flow in the network. We conclude that a static notion of specialization, based on structural modularity, is likely too simple a framework for understanding intelligence in situations of real-world complexity, from biology to brain-inspired neuromorphic systems. We propose that thoroughly stress testing candidate definitions of functional modularity in simplified scenarios before extending to more complex data, network models and electrophysiological recordings is likely to be a fruitful approach.

Maximum margin binary classification is one of the most fundamental algorithms in machine learning, yet the role of featurization maps and the high-dimensional asymptotics of the misclassification error for non-Gaussian features are still poorly understood. We consider settings in which we observe binary labels $y_i$ and either $d$-dimensional covariates ${\boldsymbol z}_i$ that are mapped to a $p$-dimension space via a randomized featurization map ${\boldsymbol \phi}:\mathbb{R}^d \to\mathbb{R}^p$, or $p$-dimensional features of non-Gaussian independent entries. In this context, we study two fundamental questions: $(i)$ At what overparametrization ratio $p/n$ do the data become linearly separable? $(ii)$ What is the generalization error of the max-margin classifier? Working in the high-dimensional regime in which the number of features $p$, the number of samples $n$ and the input dimension $d$ (in the nonlinear featurization setting) diverge, with ratios of order one, we prove a universality result establishing that the asymptotic behavior is completely determined by the expected covariance of feature vectors and by the covariance between features and labels. In particular, the overparametrization threshold and generalization error can be computed within a simpler Gaussian model. The main technical challenge lies in the fact that max-margin is not the maximizer (or minimizer) of an empirical average, but the maximizer of a minimum over the samples. We address this by representing the classifier as an average over support vectors. Crucially, we find that in high dimensions, the support vector count is proportional to the number of samples, which ultimately yields universality.

We study pointwise estimation and uncertainty quantification for a sparse variational Gaussian process method with eigenvector inducing variables. For a rescaled Brownian motion prior, we derive theoretical guarantees and limitations for the frequentist size and coverage of pointwise credible sets. For sufficiently many inducing variables, we precisely characterize the asymptotic frequentist coverage, deducing when credible sets from this variational method are conservative and when overconfident/misleading. We numerically illustrate the applicability of our results and discuss connections with other common Gaussian process priors.

We introduce a flexible method to simultaneously infer both the drift and volatility functions of a discretely observed scalar diffusion. We introduce spline bases to represent these functions and develop a Markov chain Monte Carlo algorithm to infer, a posteriori, the coefficients of these functions in the spline basis. A key innovation is that we use spline bases to model transformed versions of the drift and volatility functions rather than the functions themselves. The output of the algorithm is a posterior sample of plausible drift and volatility functions that are not constrained to any particular parametric family. The flexibility of this approach provides practitioners a powerful investigative tool, allowing them to posit a variety of parametric models to better capture the underlying dynamics of their processes of interest. We illustrate the versatility of our method by applying it to challenging datasets from finance, paleoclimatology, and astrophysics. In view of the parametric diffusion models widely employed in the literature for those examples, some of our results are surprising since they call into question some aspects of these models.

We study functional and concurrent calculi with non-determinism, along with type systems to control resources based on linearity. The interplay between non-determinism and linearity is delicate: careless handling of branches can discard resources meant to be used exactly once. Here we go beyond prior work by considering non-determinism in its standard sense: once a branch is selected, the rest are discarded. Our technical contributions are three-fold. First, we introduce a $\pi$-calculus with non-deterministic choice, governed by session types. Second, we introduce a resource $\lambda$-calculus, governed by intersection types, in which non-determinism concerns fetching of resources from bags. Finally, we connect our two typed non-deterministic calculi via a correct translation.

Gaussian processes (GPs) are popular nonparametric statistical models for learning unknown functions and quantifying the spatiotemporal uncertainty in data. Recent works have extended GPs to model scalar and vector quantities distributed over non-Euclidean domains, including smooth manifolds appearing in numerous fields such as computer vision, dynamical systems, and neuroscience. However, these approaches assume that the manifold underlying the data is known, limiting their practical utility. We introduce RVGP, a generalisation of GPs for learning vector signals over latent Riemannian manifolds. Our method uses positional encoding with eigenfunctions of the connection Laplacian, associated with the tangent bundle, readily derived from common graph-based approximation of data. We demonstrate that RVGP possesses global regularity over the manifold, which allows it to super-resolve and inpaint vector fields while preserving singularities. Furthermore, we use RVGP to reconstruct high-density neural dynamics derived from low-density EEG recordings in healthy individuals and Alzheimer's patients. We show that vector field singularities are important disease markers and that their reconstruction leads to a comparable classification accuracy of disease states to high-density recordings. Thus, our method overcomes a significant practical limitation in experimental and clinical applications.